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| CAS No.: | 6057-35-8 |
|---|---|
| Name: | L-GLYCERIC ACID CALCIUM SALT DIHYDRATE |
| Molecular Structure: | |
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| Formula: | C3H5O4·0.5Ca·H2O |
| Molecular Weight: | 143.12 |
| Synonyms: | Propanoic acid, 2,3-dihydroxy-, calcium salt (2:1), dihydrate, (2S)- (9CI);L-2,3-Dihydroxypropanoic acid hemicalcium salt;(S)-2,3-Dihydroxypropanoic acid hemicalcium salt;L-Glyceric acid calcium salt dihydrate; |
| Melting Point: | 134 °C (dec.)(lit.) |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-27-36/37/39 |
| PSA: | 142.75000 |
| LogP: | -3.37010 |
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Specification
The L-(-)-Glyceric acid hemicalcium salt monohydrate, with the CAS registry number 6057-35-8, is also known as (S)-2,3-Dihydroxypropanoic acid hemicalcium salt. It belongs to the product categories of Carbonic Acid; Chiral Compounds. This chemical's molecular formula is C3H5O4·0.5Ca·H2O and molecular weight is 143.12. What's more, its systematic name is calcium bis[(2S)-2,3-dihydroxypropanoate] hydrate. It should be sealed and stored in a cool, ventilated and dry place.
Physical properties of L-(-)-Glyceric acid hemicalcium salt monohydrate are: (1)#H bond acceptors: 9; (2)#H bond donors: 8; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 126.41 Å2.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].[O-]C(=O)[C@@H](O)CO.[O-]C(=O)[C@@H](O)CO.O
(2)InChI: InChI=1S/2C3H6O4.Ca.H2O/c2*4-1-2(5)3(6)7;;/h2*2,4-5H,1H2,(H,6,7);;1H2/q;;+2;/p-2/t2*2-;;/m00../s1
(3)InChIKey: UQXJTHUAVDANMN-NVKWYWNSSA-L